[2-(4-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-butoxybenzoate

Systemtic Name: [2-(4-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-butoxybenzoate Openeye Name: [2-(4-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(4-chlorophenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-ethylpyrazol-3-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(4-chlorophenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)CC

InChI

InChI=1S/C22H23ClN2O3/c1-3-5-14-27-20-12-6-16(7-13-20)22(26)28-21-15-18(4-2)24-25(21)19-10-8-17(23)9-11-19/h6-13,15H,3-5,14H2,1-2H3